Jeremy Harvey

Professor

KU Leuven

Belgium

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About

Professor Jeremy Harvey is a faculty member at KU Leuven, Belgium. His research primarily focuses on enzyme reaction mechanisms, ligand design for catalysis, and molecular dynamics simulations, as evidenced by his recent articles. Professor Harvey's work also extends to the fields of data-driven algorithms in astrophysics and the biochemical reactivity of various enzyme systems.

Articles (23)

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2025

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2022

Collaborators (5)

Robby Vroemans

Post-doctoral researcher - group prof. Bert Maes

University of Antwerp

BELGIUM

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Ricardo Mata

Junior Professor

University of Göttingen

GERMANY

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Cosima Stähler

Rijksinstituut voor Volksgezondheid en Milieu

NETHERLANDS

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Johan Van der Eycken

Professor

Ghent University

BELGIUM

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Robert Pollice

Assistant Professor

University of Groningen

NETHERLANDS

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Jeremy Harvey

Research Interests

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About

Articles (23)

Minimum energy path methods and reactivity for enzyme reaction mechanisms: a perspective

Ligand Design for Aerobic Pd-Catalyzed Styrene Production via the One-Step C–H/C–H Coupling of Benzene and Ethylene

Understanding Substrate Binding and Reactivity of Stearoyl-CoA Desaturase (SCD1) through Classical and Multiscale Molecular Dynamics Simulations

Highly Ordered Co‐Assembly of Bisurea Functionalized Molecular Switches at the Solid‐Liquid Interface

The Fe-MAN Challenge: Ferrates–Microkinetic Assessment of Numerical Quantum Chemistry

Exploration of biochemical reactivity with a QM/MM growing string method

Exploring the selectivity of cytochrome P450 for enhanced novel anticancer agent synthesis

Gaseous inhibition of the transsulfuration pathway by cystathionine β-synthase

Kinetic modelling of cobalt-catalyzed propene hydroformylation: a combined ab initio and experimental fitting protocol

On the origin of cooperativity effects in the formation of self-assembled molecular networks at the liquid/solid interface

DARWEN: Data-driven Algorithm for Reduction of Wide Exoplanetary Networks

Crystal structures of potassium and cesium salts of adenine: the role of alkali cations

Quantifying the Cooperative Process of Molecular Self-Assembly on Surfaces: A Case Study of Isophthalic Acids

Computational mechanistic analysis of a cationic Suzuki–Miyaura reaction without added base

Machine Learning Representations of the Three Lowest Adiabatic Electronic Potential Energy Surfaces for the ArH2+ Reactive System

Synthesis of Heterocycles via Aerobic Ni-Catalyzed Imidoylation of Aromatic 1,2-Bis-nucleophiles with Isocyanides

Stability profile of vimentin rod domain

Microscopic Reactivity of Phenylferrate Ions toward Organyl Halides

Iron-Catalyzed Kumada Cross-Coupling Reaction Involving Fe8Me12– and Related Clusters: A Computational Study

The Mechanism of Biochemical NO‐Sensing: Insights from Computational Chemistry

Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery

Pd-Catalyzed Ring Restructuring of Oxazolidines with Alkenes Leading to Fused Polycyclic Indolizines

On the Importance of Considering Multinuclear Metal Sites in Homogeneous Catalysis Modeling

Collaborators (5)

Robby Vroemans

Ricardo Mata

Cosima Stähler

Johan Van der Eycken

Robert Pollice

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